LMFA01090100
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0  0  0  0  0  0  0  0999 V2000
   20.2305    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9504    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2305    6.4942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5054    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7801    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0547    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3292    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6039    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8783    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1531    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4276    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7022    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9768    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2513    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5258    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8005    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0752    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3497    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6244    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8988    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1735    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9878    6.1777    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4480    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    5.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
  8 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090100

> <COMMON_NAME>
6-bromo-docosa-5E,9Z-dienoic acid

> <SYSTEMATIC_NAME>
6-bromo-docosa-5E,9Z-dienoic acid

> <FORMULA>
C22H39BrO2

> <MASS>
414.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OFKABAMHUKOKMV-LFJSLNKLSA-N

> <INCHI>
InChI=1S/C22H39BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)19-16-17-20-22(24)25/h13-14,19H,2-12,15-18,20H2,1H3,(H,24,25)/b14-13-,21-19+

> <SMILES>
C(CCC/C=C(/Br)\CC/C=C\CCCCCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187487

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21773407

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6123

> <CITATION>
11958814

$$$$